3-(chloroamino)-2-hydroxy-N,N-dimethylbenzamide

C9H11ClN2O2 — CID 88939329

IUPAC3-(chloroamino)-2-hydroxy-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NCl)c1O
InChIInChI=1S/C9H11ClN2O2/c1-12(2)9(14)6-4-3-5-7(11-10)8(6)13/h3-5,11,13H,1-2H3
InChIKeyPKOOOADAYIVETJ-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.66
Rot. Bonds2

About 3-(chloroamino)-2-hydroxy-N,N-dimethylbenzamide

3-(chloroamino)-2-hydroxy-N,N-dimethylbenzamide (PubChem CID 88939329) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is 3-(chloroamino)-2-hydroxy-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-(chloroamino)-2-hydroxy-N,N-dimethylbenzamide
PubChem CID88939329
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name3-(chloroamino)-2-hydroxy-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NCl)c1O
InChIInChI=1S/C9H11ClN2O2/c1-12(2)9(14)6-4-3-5-7(11-10)8(6)13/h3-5,11,13H,1-2H3
InChIKeyPKOOOADAYIVETJ-UHFFFAOYSA-N
XLogP1.66
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

3-[(4-chloro-1-methyl-2,5-dioxopyrrol-3-yl)amino]-2-hydroxy-N,N-dimethylbenzamide
CID 20795719
3-[(4-amino-1-oxo-1,2,5-thiadiazol-3-yl)amino]-2-hydroxy-N,N-dimethylbenzamide
CID 136594862
3-[[4-(2-bromoanilino)-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
CID 135458341
2-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide
CID 115951452
ethane;3-[[5-(ethylamino)-3,6-dioxo-1,2-dihydropyridazin-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;propane
CID 142262584
2-hydroxy-N,N-dimethyl-3-[[2-(4-methylpentan-2-ylamino)-3,4-dioxocyclobuten-1-yl]amino]benzamide
CID 10269833
ethane;3-[[2-(ethylamino)-4-oxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
CID 142810318
2-formamido-N,N-dimethylbenzamide
CID 64992505
3-[[1-benzyl-4-(benzylamino)-2,5-dioxopyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
CID 142234218
3-amino-2-hydroxy-N,N-dimethylbenzamide;3,4-dimethoxycyclobut-3-ene-1,2-dione;2-hydroxy-3-[(2-methoxy-3,4-dioxocyclobuten-1-yl)amino]-N,N-dimethylbenzamide
CID 160573719
3-[[2-(cyclopentylamino)-3,4-dimethylidenecyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;molecular hydrogen
CID 158036491
3-[[5-(cycloheptylamino)-3,6-dioxo-1,2-dihydropyridazin-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
CID 20772773

Frequently Asked Questions

What is the IUPAC name of 3-(chloroamino)-2-hydroxy-N,N-dimethylbenzamide?
The IUPAC name of 3-(chloroamino)-2-hydroxy-N,N-dimethylbenzamide (CID 88939329) is 3-(chloroamino)-2-hydroxy-N,N-dimethylbenzamide.
What is the SMILES notation for 3-(chloroamino)-2-hydroxy-N,N-dimethylbenzamide?
The canonical SMILES for 3-(chloroamino)-2-hydroxy-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(NCl)c1O.
What is the InChIKey of 3-(chloroamino)-2-hydroxy-N,N-dimethylbenzamide?
The InChIKey is PKOOOADAYIVETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c1-12(2)9(14)6-4-3-5-7(11-10)8(6)13/h3-5,11,13H,1-2H3.
What are the key properties of 3-(chloroamino)-2-hydroxy-N,N-dimethylbenzamide?
3-(chloroamino)-2-hydroxy-N,N-dimethylbenzamide has a molecular weight of 214.65 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloroamino)-2-hydroxy-N,N-dimethylbenzamide is sourced from PubChem (CID 88939329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).